Crystal structure and Hirshfeld surface analysis of 3-cyano-phenyl-boronic acid.

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作者:Cárdenas-Valenzuela A Jaquelin, González-García Gerardo, Zárraga-Nuñez Ramón, Höpfl Herbert, Campos-Gaxiola José J, Cruz-Enríquez Adriana
In the title compound, C(7)H(6)BNO(2), the mean plane of the -B(OH)(2) group is twisted by 21.28†(6)° relative to the cyano-phenyl ring mean plane. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds, forming chains propagating along the [101] direction. Offset π-π and B⋯π stacking inter-actions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals inter-actions constitute a further major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 25.8% of the surface.

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